Molecule ID: mol10478
SMILES: O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O
InChI: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.26 | QSARToolbox | 0 » -1 |
| 2.64 | OCHEM | -1 » -2 |
| 2.64 | OCHEM | -1 » -2 |
| 2.94 | IUPAC digitized pKa | -1 » -2 |